IBS-ZINC05219441 MOE2007 3D CORINA 3.40 0006 02.08.2006 58 59 0 0 1 0 0 0 0 0999 V2000 1.2600 1.6900 -1.8790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4840 0.3810 -2.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6750 -0.1750 0.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5240 -0.9840 1.2970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4290 -1.9350 -1.3310 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1330 -2.5380 -2.5480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6350 -3.9680 -2.7680 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3090 -4.5460 -3.9340 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0200 -5.8400 -4.3300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1300 -6.5400 -3.6430 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1740 -7.7880 -3.9950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4570 -8.3530 -5.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3850 -7.5850 -5.7960 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6350 -6.3430 -5.3890 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0380 -8.1060 -6.9030 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4870 -8.1870 -6.6700 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1600 -8.8210 -7.8900 C 0 0 3 0 0 0 0 0 0 0 0 0 3.8000 -9.8420 -8.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8400 -8.0560 -9.0560 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4370 -7.9580 -9.3130 C 0 0 3 0 0 0 0 0 0 0 0 0 2.2710 -7.3440 -10.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7470 -7.3150 -8.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8620 -9.3560 -9.5470 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6770 -8.8350 -7.6880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1470 -9.7370 -5.5230 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.7120 -9.9390 -6.3630 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7510 -10.6730 -5.0320 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.1060 -8.5140 -3.2700 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1200 2.0780 -0.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3210 1.5070 -2.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8940 2.4180 -2.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5760 0.5640 -1.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6250 -0.0070 -3.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3810 -0.3450 0.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9020 0.8850 0.4250 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5770 -0.8870 1.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3670 -0.6080 2.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2330 -2.0340 1.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6390 -1.8540 -1.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5880 -2.5770 -0.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9120 -1.9370 -3.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2090 -2.5500 -2.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8560 -4.5690 -1.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4410 -3.9560 -2.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9590 -4.0210 -4.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8870 -7.1850 -6.5140 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6810 -8.7980 -5.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6700 -7.2900 -8.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1180 -6.2990 -7.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0260 -9.9700 -8.6610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7920 -9.2810 -9.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3560 -9.8150 -10.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9190 -9.4150 -6.7970 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1550 -9.2870 -8.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0360 -7.8140 -7.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5410 -8.1150 -2.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3220 -9.4230 -3.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9780 -0.6000 -1.0590 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 32 1 0 0 0 0 2 33 1 0 0 0 0 2 58 1 0 0 0 0 3 4 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 3 58 1 0 0 0 0 4 36 1 0 0 0 0 4 37 1 0 0 0 0 4 38 1 0 0 0 0 5 6 1 0 0 0 0 5 39 1 0 0 0 0 5 40 1 0 0 0 0 5 58 1 0 0 0 0 6 7 1 0 0 0 0 6 41 1 0 0 0 0 6 42 1 0 0 0 0 7 8 1 0 0 0 0 7 43 1 0 0 0 0 7 44 1 0 0 0 0 8 9 1 0 0 0 0 8 45 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 11 28 1 0 0 0 0 12 13 2 0 0 0 0 12 25 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 22 1 0 0 0 0 16 17 1 0 0 0 0 16 46 1 0 0 0 0 16 47 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 24 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 23 1 0 0 0 0 22 48 1 0 0 0 0 22 49 1 0 0 0 0 23 50 1 0 0 0 0 23 51 1 0 0 0 0 23 52 1 0 0 0 0 24 53 1 0 0 0 0 24 54 1 0 0 0 0 24 55 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 28 56 1 0 0 0 0 28 57 1 0 0 0 0 M CHG 1 25 1 M CHG 1 27 -1 M END